SCHEMBL599309

SCHEMBL599309

CC(C)(C)c1ccc(C(=O)[C@]2(n3cc(F)c(N)nc3=O)C=C[C@@H](CO)O2)cc1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.33
MAP3K5 Q99683 2/20 0.32
EP300 Q09472 4/20 0.32
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL599086 0.88 EP300 (0.37) ALBEP300
SCHEMBL597635 0.88 ALB (0.35) ALBEP300
SCHEMBL598541 0.81 DCK (0.37) ALBKDM4E
SCHEMBL599575 0.79 CDK2 (0.36) ALBEP300
SCHEMBL598532 0.76 ALB (0.37) ALB
SCHEMBL599419 0.74 ALB (0.39) ALB
SCHEMBL598839 0.71 PDE3A (0.36) ALBEP300
SCHEMBL602357 0.69 ALB (0.36) ALB
SCHEMBL597961 0.66 ALB (0.37) ALBEP300
SCHEMBL597971 0.66 ALB (0.35) ALBEP300

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114997-B2 N4-acylcytosine nucleosides for treatment of viral infections PHARMASSET, INC. (US) 2012-02-14 US disclosed